CID 94557718

1142816-07-6

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
C1[C@H]([C@@H]1C2=C(C(=CC=C2)Cl)Cl)CN
InChI
InChI=1S/C10H11Cl2N/c11-9-3-1-2-7(10(9)12)8-4-6(8)5-13/h1-3,6,8H,4-5,13H2/t6-,8+/m0/s1
InChIKey
HGQVAQJYSRDGDC-POYBYMJQSA-N
Compound name
[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.02686 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03414 137.4
[M+Na]+ 238.01608 148.6
[M-H]- 214.01958 143.8
[M+NH4]+ 233.06068 152.5
[M+K]+ 253.99002 142.2
[M+H-H2O]+ 198.02412 132.7
[M+HCOO]- 260.02506 153.0
[M+CH3COO]- 274.04071 191.8
[M+Na-2H]- 236.00153 141.8
[M]+ 215.02631 141.0
[M]- 215.02741 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.